(-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate
TL;DR: (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate (CAS 111293-23-3) is a chemical compound with molecular formula C14H20O8 and molecular weight 316.1158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(1-ethoxy-1-oxopropan-2-yl) but-2-enedioate
Also Known As: (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate, (E)-Bis((S)-1-ethoxy-1-oxopropan-2-yl) fumarate, (-)-Bis[(S)-1-(ethoxycarbonyl)ethyl] fumarate, bis(1-ethoxy-1-oxopropan-2-yl) but-2-enedioate, 2,9-Dimethyl-4,7-dioxo-3,8-dioxadec-5-enedioic acid diethyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H20O8 |
| Molecular Weight | 316.1158 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 316.1158 Da |
| Heavy Atoms | 22 |
| Complexity | 400.0 |
| SMILES | CCOC(=O)C(C)OC(=O)C=CC(=O)OC(C)C(=O)OCC |
| InChIKey | PVSLHMRMQFZKMW-UHFFFAOYSA-N |
Chemical Property Profile of (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate
Property Insights of (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate. Following Lipinski's Rule of Five, (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate?
The CAS number of (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate is 111293-23-3.
What is the molecular formula of (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate?
The molecular formula of (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate is C14H20O8.
What is the molecular weight of (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate?
The molecular weight of (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate is 316.1158 g/mol.
Where can I buy (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate?
You can request a quote for (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate?
Yes, CoreyChem provides custom synthesis services for (-)-Bis(S)-1-(ethoxycarbonyl)ethyl fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.